1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol

C15H23ClN2O — CID 81115610

IUPAC1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCC(N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O/c1-15(19)6-9-18(10-7-15)8-5-14(17)12-3-2-4-13(16)11-12/h2-4,11,14,19H,5-10,17H2,1H3
InChIKeyDLLWOOKRAQFOMX-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.58
Rot. Bonds4

About 1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol

1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol (PubChem CID 81115610) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol
PubChem CID81115610
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCC(N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O/c1-15(19)6-9-18(10-7-15)8-5-14(17)12-3-2-4-13(16)11-12/h2-4,11,14,19H,5-10,17H2,1H3
InChIKeyDLLWOOKRAQFOMX-UHFFFAOYSA-N
XLogP2.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81114930
3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62628874
3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62622896
1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81116508
1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112629124
1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63972223
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358555
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
1-(3-hydroxy-3-phenylpropyl)-4-methylazepan-4-ol
CID 107408828

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol (CID 81115610) is 1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol is CC1(O)CCN(CCC(N)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol?
The InChIKey is DLLWOOKRAQFOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-15(19)6-9-18(10-7-15)8-5-14(17)12-3-2-4-13(16)11-12/h2-4,11,14,19H,5-10,17H2,1H3.
What are the key properties of 1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol?
1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol has a molecular weight of 282.81 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81115610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).